High throughput screening identifies novel inhibitors of Escherichia coli dihydrofolate reductase that are competitive with dihydrofolate
Zolli-Juran M, Cechetto JD, Hartlen R, Daigle DM, Brown ED: High throughput screening identifies novel inhibitors of Escherichia coli dihydrofolate reductase that are competitive with dihydrofolate. Bioorg Med Chem Lett 2003;13:2493-2496.
Experimental screening of dihydrofolate reductase yields a "test set" of 50,000 small molecules for a computational data-mining and docking competition
Elowe NH, Blanchard JE, Cechetto JD, Brown ED: Experimental screening of dihydrofolate reductase yields a "test set" of 50,000 small molecules for a computational data-mining and docking competition. J Biomol Screen 2005;10:653-657.
Similarity to molecules in the training set is a good discriminator for prediction accuracy in QSAR
Sheridan RP, Feuston BP, Maiorov VN, Kearsley SK: Similarity to molecules in the training set is a good discriminator for prediction accuracy in QSAR. J Chem Inf Comput Sci 2004;44:1912-1928.